1-tert-butyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine

C12H17N3S — CID 115777686

IUPAC1-tert-butyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine
SMILESCC(C)(C)n1cc(NCc2cccs2)cn1
InChIInChI=1S/C12H17N3S/c1-12(2,3)15-9-10(7-14-15)13-8-11-5-4-6-16-11/h4-7,9,13H,8H2,1-3H3
InChIKeyYPJPZDITGVZVEZ-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.31
Rot. Bonds3

About 1-tert-butyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine

1-tert-butyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine (PubChem CID 115777686) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-tert-butyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine
PubChem CID115777686
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-tert-butyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine
SMILESCC(C)(C)n1cc(NCc2cccs2)cn1
InChIInChI=1S/C12H17N3S/c1-12(2,3)15-9-10(7-14-15)13-8-11-5-4-6-16-11/h4-7,9,13H,8H2,1-3H3
InChIKeyYPJPZDITGVZVEZ-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride
CID 126967736
1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrazol-4-amine
CID 43728977
5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672
2-methyl-2-[4-(6-thiophen-2-ylhexanoylamino)pyrazol-1-yl]propanoic acid
CID 120697578
N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673369
2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 4722843
5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazol-2-amine
CID 130735490
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126966027
5-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43173671
3-[(1-tert-butylpyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoic acid
CID 43787534
6-N-methyl-2-N-(thiophen-2-ylmethyl)pyrazine-2,6-diamine
CID 80771921

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-tert-butyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine (CID 115777686) is 1-tert-butyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-tert-butyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine is CC(C)(C)n1cc(NCc2cccs2)cn1.
What is the InChIKey of 1-tert-butyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine?
The InChIKey is YPJPZDITGVZVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-12(2,3)15-9-10(7-14-15)13-8-11-5-4-6-16-11/h4-7,9,13H,8H2,1-3H3.
What are the key properties of 1-tert-butyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine?
1-tert-butyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine has a molecular weight of 235.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 115777686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).